11-(bromomethyl)tricosane

C24H49Br — CID 23075055

IUPAC11-(bromomethyl)tricosane
SMILESCCCCCCCCCCCCC(CBr)CCCCCCCCCC
InChIInChI=1S/C24H49Br/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24H,3-23H2,1-2H3
InChIKeyJVAQVYKSURQMBE-UHFFFAOYSA-N
MW417.56 g/mol
LogP9.84
Rot. Bonds21

About 11-(bromomethyl)tricosane

11-(bromomethyl)tricosane (PubChem CID 23075055) has the molecular formula C24H49Br and a molecular weight of 417.56 g/mol. Its IUPAC name is 11-(bromomethyl)tricosane.

Molecular Properties

Compound Name11-(bromomethyl)tricosane
PubChem CID23075055
Molecular FormulaC24H49Br
Molecular Weight417.56 g/mol
Exact Mass416.30
IUPAC Name11-(bromomethyl)tricosane
SMILESCCCCCCCCCCCCC(CBr)CCCCCCCCCC
InChIInChI=1S/C24H49Br/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24H,3-23H2,1-2H3
InChIKeyJVAQVYKSURQMBE-UHFFFAOYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(bromomethyl)tricosane?
The IUPAC name of 11-(bromomethyl)tricosane (CID 23075055) is 11-(bromomethyl)tricosane.
What is the SMILES notation for 11-(bromomethyl)tricosane?
The canonical SMILES for 11-(bromomethyl)tricosane is CCCCCCCCCCCCC(CBr)CCCCCCCCCC.
What is the InChIKey of 11-(bromomethyl)tricosane?
The InChIKey is JVAQVYKSURQMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49Br/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24H,3-23H2,1-2H3.
What are the key properties of 11-(bromomethyl)tricosane?
11-(bromomethyl)tricosane has a molecular weight of 417.56 g/mol, XLogP of 9.84, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(bromomethyl)tricosane is sourced from PubChem (CID 23075055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).